MMsINC Database Search


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MMsINC code: MMs00011541

Type: Neutral
Formula: C₁₀H₁₀O

SMILES:

O=C(C1CC1)c1ccccc1

InChI:

InChI=1/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.1098 kcal/mol

Physical Properties
Molecular Weight: 146.189 g/mol	logS: -1.99865	SlogP: 2.2793	Reactive groups: 0

Topological Properties
Globularity: 0.052392	Sterimol/B1: 2.75774	Sterimol/B2: 2.83217	Sterimol/B3: 3.50343
Sterimol/B4: 4.24643	Sterimol/L: 11.0099

Surface and Volume Properties
Accessible surface: 351.346	Positive charged surface: 192.853	Negative charged surface: 158.492	Volume: 156.375
Hydrophobic surface: 280.182	Hydrophilic surface: 71.164

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.